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100397-96-4 | Ethanone, 1-(4-bromophenyl)-2-(4-pyridinyl)-
CAS No: 100397-96-4 Catalog No: AG0001W2 MDL No:MFCD04114399
Product Description
Catalog Number:
AG0001W2
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-(4-pyridinyl)-
CAS Number:
100397-96-4
Molecular Formula:
C13H10BrNO
Molecular Weight:
276.1286
MDL Number:
MFCD04114399
IUPAC Name:
1-(4-bromophenyl)-2-pyridin-4-ylethanone
InChI:
InChI=1S/C13H10BrNO/c14-12-3-1-11(2-4-12)13(16)9-10-5-7-15-8-6-10/h1-8H,9H2
InChI Key:
NKFPGRBMSCKIBN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)Cc1ccncc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.133g/mol
Monoisotopic Mass:
274.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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